4-fluoro-4-methylcyclohexan-1-amine hydrochloride

• ChemBase ID: 246061
• Molecular Formular: C7H15ClFN
• Molecular Mass: 167.6521032
• Monoisotopic Mass: 167.08770539
• SMILES: C1(F)(CCC(N)CC1)C.Cl
• Canonical SMILES: NC1CCC(CC1)(C)F.Cl
• InChI: InChI=1S/C7H14FN.ClH/c1-7(8)4-2-6(9)3-5-7;/h6H,2-5,9H2,1H3;1H
• InChIKey: YQLALVULPVOQCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-4-methylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4-fluoro-4-methylcyclohexan-1-amine hydrochloride
• Synonyms: 4-fluoro-4-methylcyclohexan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144208
• PubChem SID: 164301971
• PubChem CID: 71757867

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0691087
• LogD (pH = 7.4): -1.7810713
• Log P: 0.9587616
• Molar Refractivity: 35.5486 cm^3
• Polarizability: 14.107876 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.279

Product Information

• Purity: null%